Geometry & MOs

Info

ID:	287406
PubChem CID:	104240889
Reduced:	BrO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	352.08987
ΔH_f, kcal/mol:	-62.2
Dipole, Da:	9.34
IP(EA), eV:	-9.21(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-cyclopentyl-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1CCOC(C1)C2=NC(=O)C(=C(N2)C3CCCC3)Br

DOS

IR

Vibrations